[HTML][HTML] Structural insights into conformational stability and binding of thiazolo-[2, 3-b] quinazolinone derivatives with EGFR-TKD and in-vitro study

SA Mir, PP Mohanta, RK Meher, MK Raval… - Saudi Journal of …, 2022 - Elsevier
Heterocyclic molecules are well-known drugs against various diseases including cancer.
Many tyrosine kinase inhibitors including erlotinib, osimertinib, and sunitinib were …

[HTML][HTML] Molecular dynamic simulation, free binding energy calculation of Thiazolo-[2, 3-b] quinazolinone derivatives against EGFR-TKD and their anticancer activity

SA Mir, RK Meher, I Baitharu, B Nayak - Results in Chemistry, 2022 - Elsevier
Epidermal growth factor receptor tyrosine kinase domain (EGFR-TKD) plays a crucial role in
the onset and progression of different types of cancers. The existing EGFR-TKD inhibitors …

In silico and in vitro evaluations of fluorophoric thiazolo-[2, 3-b] quinazolinones as anti-cancer agents targeting EGFR-TKD

SA Mir, GC Dash, RK Meher, PP Mohanta… - Applied Biochemistry …, 2022 - Springer
Epidermal growth factor receptor tyrosine kinase domain (EGFR-TKD) plays a pivotal role in
cellular signaling, growth, and metabolism. The EGFR-TKD is highly expressed in cancer …

[PDF][PDF] In-silico interaction studies of quinazoline derivatives for their inhibitory action on both wild and mutant EGFRs

KS Hatti, V Chandregowda, GV Rao… - Journal of Proteomics …, 2009 - researchgate.net
Epidermal growth factor receptor (EGFR) family has gained importance as a target for
cancer therapy. However, somatic mutations in the tyrosine kinase domain of EGFR alter its …

Exploring binding stability of hydroxy-3-(4-hydroxyphenyl)-5-(4-nitrophenyl)-5, 5a, 7, 8, 9, 9a-hexahydrothiazolo [2, 3-b] quinazolin-6-one with T790M/L858R EGFR …

SA Mir, B Nayak - Journal of Biomolecular Structure and Dynamics, 2023 - Taylor & Francis
Cancer causes innumerable deaths every year globally. Breast cancer and non-small cell
lung carcinoma are the most prevalent worldwide. EGFR-TKD is a neoplastic survival …

Exploring the interaction between epidermal growth factor receptor tyrosine kinase and some of the synthesized inhibitors using combination of in-silico and in-vitro …

RR Nasab, M Mansourian… - Research in …, 2018 - journals.lww.com
Quinazoline derivatives are potent inhibitors of human epidermal growth factor receptor
(EGFR) as anticancer agents. In this study, the cytotoxic effects of a new series of …

Bioinspired thiazolo-[2,3-b] quinazolin-6-one derivatives as potent anti-cancer agents targeting EGFR: their biological evaluations and in silico assessment

SA Mir, PP Mohanta, RK Meher, I Baitharu… - Molecular Diversity, 2023 - Springer
Cancer is a challenging and second most deadly disease. The epidermal growth factor
receptors (EGFRs) dimerize upon ligand bindings to the extracellular domain that intiates …

2-(Chloromethyl)-3-phenylquinazolin-4 (3H)-ones as potent anticancer agents; cytotoxicity, molecular docking and in silico studies

L Emami, Z Faghih, S Khabnadideh, Z Rezaei… - Journal of the Iranian …, 2021 - Springer
In order to show antiproliferation and cancerous cell growth inhibition of quinazoline
derivatives, a series of 2-(chloromethyl)-3-phenylquinazolin-4 (3H)-ones (H 1–H 11) were …

Molecular docking and dynamics studies of 4-anilino quinazolines for epidermal growth factor receptor tyrosine kinase to find potent inhibitor

SK Muthuvel, E Elumalai, GK, HK - Journal of Receptors and …, 2018 - Taylor & Francis
A series of novel 4-anilino quinazoline derivatives were taken based on the literature study
and optimized with Autodock version 4.2 and molecular dynamics (MD) protocol to …

In silico study of 1-benzoyl-3-methylthiourea derivatives activity as epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor candidates

R Ruswanto, AM Miftah, DH Tjahjono - Chemical Data Collections, 2021 - Elsevier
Epidermal growth factor receptor (EGFR) is one of the important receptor tyrosine kinases
(RTKs). The thiourea is widely used in drug discovery and development. Therefore, an in …